MassBank Record: KO008846



 Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/228; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008846
RECORD_TITLE: Argininosuccinic acid; LC-ESI-IT; MS3; m/z: 291/228; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A039
COMMENT: [MS2] KO008844

CH$NAME: Argininosuccinate CH$NAME: L-Argininosuccinate CH$NAME: L-Argininosuccinic acid CH$NAME: L-Arginosuccinic acid CH$NAME: N(omega)-(L-Arginino)succinate CH$NAME: N-(L-Arginino)succinate CH$NAME: Argininosuccinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18N4O6 CH$EXACT_MASS: 290.12263 CH$SMILES: OC(=O)CC(C(O)=O)NC(=N)NCCCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 CH$LINK: CHEBI 15682 CH$LINK: KEGG C03406 CH$LINK: PUBCHEM 6235 CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.65
MS$FOCUSED_ION: PRECURSOR_M/Z 291/228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03di-1980000000-27b5f442d411115ebaab PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 68.2 2.08 2 70.2 181.17 190 94.0 6.62 7 97.1 5.15 5 98.0 2.46 3 121.0 2.00 2 122.1 6.77 7 125.1 28.07 29 137.0 24.76 26 139.9 3.23 3 143.1 5.23 5 145.1 7.69 8 147.2 2.46 3 149.0 486.16 510 156.6 2.08 2 158.0 95.35 100 159.1 0.77 1 164.0 57.30 60 165.0 12.07 13 166.0 264.99 278 168.0 15.15 16 169.1 1.85 2 173.1 7.30 8 175.0 27.76 29 183.0 129.73 136 185.0 18.53 19 192.0 57.37 60 193.0 97.20 102 210.0 952.49 999 211.0 195.79 205 211.9 5.08 5 223.2 4.46 5 227.2 17.69 19 228.1 54.29 57 247.2 4.84 5 //